UCSF

ZINC01278851

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.09 4.76 -17.41 2 6 0 75 280.287 2
Mid Mid (pH 6-8) 2.09 -2.02 -41.02 3 6 1 76 281.295 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )